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1,1-Bis(methylthio)-4,4-dimethyl-2-(2-methylaminophenyl)-1-penten-3-one
SpectraBase Compound ID BN9WNQfIn7u
InChI InChI=1S/C16H23NOS2/c1-16(2,3)14(18)13(15(19-5)20-6)11-9-7-8-10-12(11)17-4/h7-10,17H,1-6H3
InChIKey KHHQVJTUNOOLJH-UHFFFAOYSA-N
Mol Weight 309.49 g/mol
Molecular Formula C16H23NOS2
Exact Mass 309.122107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52d2ay81aHJ
Name 1,1-Bis(methylthio)-4,4-dimethyl-2-(2-methylaminophenyl)-1-penten-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H23NOS2
InChI InChI=1S/C16H23NOS2/c1-16(2,3)14(18)13(15(19-5)20-6)11-9-7-8-10-12(11)17-4/h7-10,17H,1-6H3
InChIKey KHHQVJTUNOOLJH-UHFFFAOYSA-N
Molecular Weight 309.486 g/mol
SMILES N(c1c(C(=C(SC)SC)C(C(C)(C)C)=O)cccc1)C
SPLASH splash10-004i-0092000000-9c9e57195099de44b705
Source of Spectrum F-57-785-6
Synonyms 4,4-dimethyl-2-[2-(methylamino)phenyl]-1,1-bis(methylsulfanyl)-1-penten-3-one 4,4-dimethyl-2-[2-(methylamino)phenyl]-1,1-bis(methylthio)-1-penten-3-one 4,4-dimethyl-2-[2-(methylamino)phenyl]-1,1-bis(methylsulfanyl)pent-1-en-3-one
Wiley ID 1549489